%chk=000287837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287837

0 1
S -0.924138 -1.609526 -0.627805
O 0.327468 1.219411 1.036825
O -0.548607 1.598053 -1.016726
N 3.590564 2.681624 0.045661
C -1.406773 -0.204880 0.436847
C 2.461833 1.700537 -0.022937
C -2.872182 -0.021038 0.184500
C 1.330999 2.264218 0.847469
C -0.550569 0.962871 0.008507
C -3.791977 -0.451800 1.154960
C -3.336074 0.551889 -1.009910
C 4.908023 1.986435 -0.050639
C 3.466042 3.712268 -1.027768
C 0.717891 -1.968692 -0.094052
C -5.162882 -0.308333 0.928308
C -4.708613 0.692237 -1.228811
C -5.623638 0.262784 -0.262599
C 0.941145 -2.585874 1.138154
C 1.769425 -1.678048 -0.965964
C 2.250250 -2.915705 1.505306
C 3.074574 -2.018393 -0.593496
C 3.313656 -2.633359 0.640333
H -1.202698 -0.443133 1.514444
H 2.770597 0.710437 0.380883
H 2.089181 1.508880 -1.052923
H 0.849817 3.153140 0.408485
H 1.647650 2.461061 1.887969
H -3.442722 -0.900996 2.082966
H -2.621581 0.896667 -1.765069
H 5.712630 2.733477 0.047997
H 5.071098 1.426613 -0.982629
H 5.009287 1.291781 0.798975
H 2.489289 4.214762 -0.939166
H 3.558590 3.327461 -2.053997
H 4.241115 4.480067 -0.873456
H -5.873979 -0.643376 1.681711
H -5.064144 1.137998 -2.156945
H -6.692473 0.372592 -0.436472
H 0.111818 -2.814571 1.807567
H 1.580508 -1.195038 -1.926504
H 2.440635 -3.395116 2.464356
H 3.903623 -1.805390 -1.266200
H 4.331042 -2.895396 0.928543


%chk=000287837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287837

0 1
S -1.115851 -1.989208 -0.528664
O 0.169847 1.242183 1.057655
O -0.383940 1.172410 -1.211284
N 3.545315 2.719708 0.198403
C -1.491223 -0.343615 0.426542
C 2.556648 1.670932 0.535304
C -2.956674 -0.014122 0.204263
C 1.177883 2.312094 0.784665
C -0.534117 0.748723 -0.043283
C -3.877875 -0.203406 1.265448
C -3.427276 0.456482 -1.049674
C 4.916447 2.403946 0.644181
C 3.502139 3.119757 -1.223854
C 0.706036 -2.141903 -0.260920
C -5.249961 0.078319 1.082033
C -4.798743 0.737641 -1.229966
C -5.714036 0.549830 -0.167404
C 1.221624 -2.547691 0.993092
C 1.579902 -1.897694 -1.347228
C 2.616691 -2.703981 1.161041
C 2.973953 -2.070945 -1.178212
C 3.493875 -2.470657 0.074988
H -1.293357 -0.542822 1.489957
H 2.878744 1.154446 1.457181
H 2.465471 0.893403 -0.259876
H 0.841275 2.904441 -0.083057
H 1.187440 2.931306 1.693619
H -3.519628 -0.571659 2.234380
H -2.715259 0.603585 -1.868060
H 5.573133 3.273360 0.458452
H 5.363599 1.520182 0.122017
H 4.921523 2.200473 1.729524
H 2.472455 3.383513 -1.518790
H 3.855779 2.311395 -1.912676
H 4.138665 4.009247 -1.379131
H -5.952646 -0.070469 1.909390
H -5.154724 1.101623 -2.200239
H -6.778181 0.767799 -0.311976
H 0.536277 -2.751616 1.822834
H 1.167221 -1.572091 -2.307210
H 3.014692 -3.019238 2.132024
H 3.648723 -1.892110 -2.022681
H 4.573834 -2.604973 0.203891


